General Information of the Compound
Compound ID
CP0533901
Compound Name
(6-fluoro-1H-benzimidazol-2-yl)-(7-fluoro-1H-indol-3-yl)methanone
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Structure
Formula
C16H9F2N3O
Molecular Weight
297.264
Canonical SMILES
Fc1ccc2nc([nH]c2c1)C(=O)c1c[nH]c2c(F)cccc12
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InChI
InChI=1S/C16H9F2N3O/c17-8-4-5-12-13(6-8)21-16(20-12)15(22)10-7-19-14-9(10)2-1-3-11(14)18/h1-7,19H,(H,20,21)
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InChIKey
CKWAKNVZFMTNNG-UHFFFAOYSA-N
Physicochemical Property
logP
3.5534
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
61.54
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 154626608
ChEMBL ID
CHEMBL4789986
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03976, Proprotein convertase subtilisin/kexin type 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 2.46 nM
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